Structural formula
Business number | 0279 |
---|---|
Molecular formula | C10H12O3 |
Molecular weight | 180.20 |
label |
propylparaben, Propyl p-hydroxybenzoate, Propyl 4-Hydroxybenzoate, 4-Hydroxybenzoic acid propyl ester, Propyl p-Jnydroxybenzoate, p-Hydroxybenzoic acid propyl ester, HOC6H4CO2CH2CH2CH3, preservative |
Numbering system
CAS number:94-13-3
MDL number:MFCD00002354
EINECS number:202-307-7
RTECS number:DH2800000
BRN number:1103245
PubChem number:24898712
Physical property data
1. Character: white crystal
2. Density (g/mL, 25/4℃): Undetermined
3. Relative vapor density (g/mL, air =1): Undetermined
4. Melting point (ºC): 96-97
5. Boiling point (ºC, normal pressure): 133
6. Boiling point (ºC, 5.2kPa): Not determined
7. Refractive index: Not determined
8. Flash point (ºC): Not determined
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (kPa, 25ºC): Undetermined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature ( ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Solubility: Very slightly soluble in water, soluble in ethanol, acetone and propylene glycol.
Toxicological data
None yet
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 49.24
2. Molar volume (cm3/mol): 149.7
3. Isotonic specific volume (90.2K ): 400.7
4. Surface tension (dyne/cm): 51.3
5. Polarizability (10-24cm3): 19.52
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3.�Number of � bond receptors: 3
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: 4
6. Topological molecules Polar surface area 46.5
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 160
10. Number of isotope atoms: 0
11. Number of determined atomic stereocenters: 0
12. Number of uncertain atomic stereocenters: 0
13. Determined number of stereocenters of chemical bonds: 0
14. Uncertain number of stereocenters of chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
None yet
Storage method
This product should be kept sealed.
Synthesis method
1. Obtained from the esterification of p-hydroxybenzoic acid and n-propanol. Mix p-hydroxybenzoic acid and propanol, heat to dissolve, slowly add sulfuric acid, continue to heat and reflux for 8h, then cool and pour 4% Precipitate crystals from sodium carbonate solution, filter, wash with water until neutral to obtain crude product, and then recrystallize with ethanol to obtain the finished product. During preparation, cation exchange resin can also be used instead of sulfuric acid catalyst.
2. It is prepared by esterification of p-hydroxybenzoic acid and n-propanol, decolorization and recrystallization.
Purpose
Used as preservatives, antioxidants, and bactericides in food, cosmetics, drugs, etc. See also ethyl parahydroxybenzoate.